SCHEMBL4678570

SCHEMBL4678570

O=S(=O)(c1cccc(Br)c1)c1cc2c(N3CCNCC3)cccc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.79
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3326633 0.88 HTR6 (1.00) HTR6ADRB1HTR1ADRD2HTR2A
SCHEMBL14143216 0.86 HTR6 (0.79) HTR6ADRB1HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7008069 0.84 HTR6 (0.91) HTR6ADRB1HTR1ADRD2HTR2A
SCHEMBL5202731 0.82 HTR6 (0.62) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL4676917 0.80 HTR6 (0.71) HTR6ADRB1HTR1ADRD2HTR2A
SCHEMBL4676720 0.77 HTR6 (0.71) HTR6ADRB1HTR1AHTR2AHTR7
SCHEMBL4675570 0.77 HTR6 (0.71) HTR6ADRB1HTR1AHTR2AHTR7
SCHEMBL4675814 0.76 HTR6 (0.70) HTR6ADRB1HTR1ADRD2HTR2A
SCHEMBL4676415 0.76 HTR6 (0.49) HTR6
SCHEMBL4675283 0.75 HTR6 (0.76) HTR6HTR1ADRD2HTR2AHTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542973-B1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP claimed
EP-1542973-A1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP claimed
WO-2004026831-A1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO claimed
EP-1542973-B1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
US-7381739-B2 Antiserotonine agents; central nervous system disorders; Alzheimer's disease; Parkinson's disease; Huntington's disease; sleep disorders ROCHE PALO ALTO LLC (US) 2008-06-03 US disclosed
US-7381739-B2 Antiserotonine agents; central nervous system disorders; Alzheimer's disease; Parkinson's disease; Huntington's disease; sleep disorders ROCHE PALO ALTO LLC (US) 2008-06-03 US disclosed
US-7381739-B2 Antiserotonine agents; central nervous system disorders; Alzheimer's disease; Parkinson's disease; Huntington's disease; sleep disorders ROCHE PALO ALTO LLC (US) 2008-06-03 US disclosed
EP-1542973-A1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP disclosed
WO-2004026831-A1 2,4-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO disclosed